ライフサイエンスコーパス: interproton

1 cted via restrained molecular dynamics using interproton distance (nuclear Overhauser enhancement) an

2 Interproton distance and deoxyribose ring torsion angle

3 n determined using an MD protocol where both interproton distance and dihedral angle restraints deduc

4 mely experimental NOE-derived intermolecular interproton distance and dipolar coupling restraints, an

5 nsitive to local geometry, in particular the interproton distance and the (13)C-(1)H-(1)H internuclea

6 ined molecular dynamics based on NMR-derived interproton distance and torsion angle constraints.

7 Interproton distance bounds were calculated very conserv

8 monuclear NMR experiments, and the resulting interproton distance constraints were used to generate e

9 difficult problem since the density of short interproton distance contacts is relatively low and limi

10 eaks d(alphaN), d(NN), and d(betaN) provided interproton distance information, and vicinal spin-spin

11 In addition, with the increased accuracy of interproton distance measurements afforded by the comple

12 ble to improve the accuracy and precision of interproton distance measurements used as input for NMR

13 e 20 convergent structures from a set of 227 interproton distance restraints and 13 torsion angle mea

14 tion matrix methods for the determination of interproton distance restraints and a combination of dis

15 e 23 convergent structures from a set of 302 interproton distance restraints and two torsion angle me

16 thod, CLOUDS, relies on precise and abundant interproton distance restraints calculated via a relaxat

17 ocol, and restrained by a combination of 338 interproton distance restraints obtained from (1)H NOESY

18 lved NOESY spectra, yielding a total of 3335 interproton distance restraints or 26 restraints/residue

19 These interproton distance restraints were determined using a

20 R restraints, consisting of 2409 approximate interproton distance restraints, 84 distance restraints

21 using DSPACE with a total of 609 NOE-derived interproton distance restraints, including 22 intraresid

22 btain 1H, 15N and 13C resonance assignments, interproton-distance and torsion-angle restraints, and r

23 A total of 927 interproton distances and 123 torsion angle constraints

24 Variations in calculated values of interproton distances and sixth-root R factor analysis o

25 The calculated interproton distances and sugar puckers have been analyz

26 erhauser effect crosspeak intensity provided interproton distances and the torsion angles were measur

27 ined molecular dynamics based on NMR-derived interproton distances and torsion angle constraints.

28 es derived from these spectra, together with interproton distances calculated from the crystal struct

29 As base-sugar interproton distances depend on both sugar pucker and gl

30 These distances, together with the interproton distances determined previously from TRNOESY

31 Detailed comparison of interproton distances from each hybrid indicates that th

32 A constraint set consisting of 396 interproton distances from NOE data was used as input fo

33 Nearly all of the expected peaks for interproton distances under 5 A were observed.

34 s were used to assign proton resonances, and interproton distances were estimated from the observed n

35 A total of 253 and 221 interproton distances were obtained from relaxation matr

36 Experimentally determined interproton distances were used in a simulated annealing

37 tical model was developed to derive relevant interproton distances which were compared to those calcu

38 tructure of the protein was defined by >2000 interproton distances, 64 (3)JN alpha, and 43 hydrogen-b

39 d from a series of NMR NOESY spectra yielded interproton distances, and COSY experiments provided dih

40 NOESY spectra were used to determine interproton distances, and these distance constraints we

41 A total of 426 interproton distances, including nine uniquely assigned

42 odeling, employing experimentally determined interproton distances, resulted in two different enzyme-

43 Analysis of intraresidue base-sugar interproton NOE bounds patterns suggests a motional mode

44 olution of steroid-bound isomerase, based on interproton NOE's and differences in chemical shifts of

45 The olefinic interproton two-bond coupling constants (2)JH,H of the H